SCHEMBL2395111

SCHEMBL2395111

O=S1(=O)CCN(C2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ DRD2 P14416 3/20 0.58
▸ DRD4 P21917 3/20 0.58
▸ DRD3 P35462 3/20 0.58
▸ ACHE P22303 2/20 0.54
▸ TSHR P16473 1/20 0.53
▸ CCR3 P51677 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1264074 0.91 RECQL (0.52) RECQLSMN1; SMN2DRD2DRD4DRD3
SCHEMBL1264072 0.91 RECQL (0.52) RECQLSMN1; SMN2DRD2DRD4DRD3
SCHEMBL2087518 0.89 RECQL (0.60) RECQLSMN1; SMN2DRD2DRD4DRD3
SCHEMBL3709310 0.85 RECQL (0.70) RECQLSMN1; SMN2DRD2DRD4DRD3
SCHEMBL3319068 0.85 KMT2A (0.68) DRD4ACHESIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL3706762 0.83 RECQL (0.68) RECQLSMN1; SMN2DRD2DRD4DRD3
SCHEMBL13990656 0.83 L3MBTL3 (0.68) RECQLSMN1; SMN2DRD2DRD4DRD3
SCHEMBL3285312 0.83 DRD2 (0.65) RECQLSMN1; SMN2DRD2DRD4DRD3
SCHEMBL3956954 0.83 MC4R (0.69) RECQLSMN1; SMN2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL4324912 0.82 DRD2 (0.63) RECQLSMN1; SMN2DRD2DRD4DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215090-B1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-03-04 — — EP disclosed
EP-2215090-B1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-03-04 — — EP disclosed
CN-101835779-B Purine derivatives useful as PI3 kinase inhibitors HOFFMANN LA ROCHE 2014-01-29 — — CN disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 — — US disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 — — US disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 — — US disclosed
EP-2215090-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-08-11 — — EP disclosed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS PIK3CA, PIK3CD, PI4KA RECQL 531/4885SMN1; SMN2 2854/4885DRD2 3147/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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